(2R)-3-methyl-N-(phenylmethyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide

Systemtic Name: (2R)-3-methyl-N-(phenylmethyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide Openeye Name: (2R)-N-benzyl-3-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide CAS Name: (2R)-3-methyl-N-(phenylmethyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]butanamide IUPAC Name: (2R)-N-benzyl-3-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: (2R)-N-benzyl-3-methyl-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]butyramide Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC=C1)SC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)NCC1=CC=CC=C1)SC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS/c1-15(2)18(19(25)21-13-16-9-5-3-6-10-16)26-20-23-22-14-24(20)17-11-7-4-8-12-17/h3-12,14-15,18H,13H2,1-2H3,(H,21,25)/t18-/m1/s1